9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-6-[5-(2-nitrophenyl)-2-furyl]-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-6-[5-(2-nitrophenyl)-2-furanyl]-5-(1-oxopropyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-propanoyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-6-[5-(2-nitrophenyl)-2-furyl]-5-propionyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)(C)C)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C28H27N3O5/c1-4-25(33)30-21-12-8-6-10-18(21)29-19-15-28(2,3)16-22(32)26(19)27(30)24-14-13-23(36-24)17-9-5-7-11-20(17)31(34)35/h5-15,26-27,29H,4,16H2,1-3H3