methyl 3-nitro-5-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(3-oxo-1-piperazinyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]benzoate Traditional Name: 3-[[4-(3-ketopiperazino)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6/c1-29-19(26)13-8-12(9-16(10-13)23(27)28)18(25)21-14-2-4-15(5-3-14)22-7-6-20-17(24)11-22/h2-5,8-10H,6-7,11H2,1H3,(H,20,24)(H,21,25)