3-[7-azanyl-1-(4-nitrophenyl)-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[7-azanyl-1-(4-nitrophenyl)-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-amino-1-(4-nitrophenyl)-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-amino-1-(4-nitrophenyl)-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-amino-1-(4-nitrophenyl)-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[7-amino-5-keto-1-(4-nitrophenyl)-2,3-dihydro-1,4-benzodiazepin-4-yl]propionic acid Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(C=C(C=C2)N)C(=O)N1CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=C(C=C(C=C2)N)C(=O)N1CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c19-12-1-6-16-15(11-12)18(25)20(8-7-17(23)24)9-10-21(16)13-2-4-14(5-3-13)22(26)27/h1-6,11H,7-10,19H2,(H,23,24)