methyl (2E)-2-[[5-(2-chlorophenyl)-8-nitro-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-3-oxidanyl-propanoate

Systemtic Name: methyl (2E)-2-[[5-(2-chlorophenyl)-8-nitro-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-3-oxidanyl-propanoate Openeye Name: methyl (2E)-2-[[5-(2-chlorophenyl)-8-nitro-3H-1,4-benzodiazepin-2-yl]hydrazono]-3-hydroxy-propanoate CAS Name: (2E)-2-[[5-(2-chlorophenyl)-8-nitro-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[5-(2-chlorophenyl)-8-nitro-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]-3-hydroxypropanoate Traditional Name: (2E)-2-[[5-(2-chlorophenyl)-8-nitro-3H-1,4-benzodiazepin-2-yl]hydrazono]-3-hydroxy-propionic acid methyl ester Formula: C19H16ClN5O5 MolecularWeight: 429.81384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NNC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3Cl)CO

Isomeric SMILES

COC(=O)/C(=N/NC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3Cl)/CO

InChI

InChI=1S/C19H16ClN5O5/c1-30-19(27)16(10-26)23-24-17-9-21-18(12-4-2-3-5-14(12)20)13-7-6-11(25(28)29)8-15(13)22-17/h2-8,26H,9-10H2,1H3,(H,22,24)/b23-16+