(4-aminocarbonylphenyl)methyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4-aminocarbonylphenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-carbamoylphenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-carbamoylbenzyl) ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c1-18-13-7-6-12(8-14(13)19(22)23)16(21)24-9-10-2-4-11(5-3-10)15(17)20/h2-8,18H,9H2,1H3,(H2,17,20)