methyl 3-[(3S)-5-(2-fluorophenyl)-7-nitro-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate

Systemtic Name: methyl 3-[(3S)-5-(2-fluorophenyl)-7-nitro-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate Openeye Name: methyl 3-[(3S)-5-(2-fluorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate CAS Name: 3-[(3S)-5-(2-fluorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3S)-5-(2-fluorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]propanoate Traditional Name: 3-[(3S)-5-(2-fluorophenyl)-2-keto-7-nitro-1,3-dihydro-1,4-benzodiazepin-3-yl]propionic acid methyl ester Formula: C19H16FN3O5 MolecularWeight: 385.345843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)CC[C@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F

InChI

InChI=1S/C19H16FN3O5/c1-28-17(24)9-8-16-19(25)22-15-7-6-11(23(26)27)10-13(15)18(21-16)12-4-2-3-5-14(12)20/h2-7,10,16H,8-9H2,1H3,(H,22,25)/t16-/m0/s1