4-[9-(4-fluorophenyl)-6-(5-nitrofuran-2-yl)-7-oxidanylidene-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[9-(4-fluorophenyl)-6-(5-nitrofuran-2-yl)-7-oxidanylidene-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[9-(4-fluorophenyl)-6-(5-nitro-2-furyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[9-(4-fluorophenyl)-6-(5-nitro-2-furanyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[9-(4-fluorophenyl)-6-(5-nitrofuran-2-yl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[9-(4-fluorophenyl)-7-keto-6-(5-nitro-2-furyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid Formula: C27H22FN3O7 MolecularWeight: 519.477883

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=C(O4)[N+](=O)[O-])C(=O)CCC(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=C(O4)[N+](=O)[O-])C(=O)CCC(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H22FN3O7/c28-17-7-5-15(6-8-17)16-13-19-26(21(32)14-16)27(22-9-11-24(38-22)31(36)37)30(23(33)10-12-25(34)35)20-4-2-1-3-18(20)29-19/h1-9,11,16,27,29H,10,12-14H2,(H,34,35)