3-[(3S)-5-(2-fluorophenyl)-1-methyl-7-nitro-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)CCC(=O)O)C3=CC=CC=C3F

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N[C@H](C1=O)CCC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C19H16FN3O5/c1-22-16-8-6-11(23(27)28)10-13(16)18(12-4-2-3-5-14(12)20)21-15(19(22)26)7-9-17(24)25/h2-6,8,10,15H,7,9H2,1H3,(H,24,25)/t15-/m0/s1