4-[methyl-(phenylmethyl)amino]-3-nitro-benzoate

Systemtic Name: 4-[methyl-(phenylmethyl)amino]-3-nitro-benzoate Openeye Name: 4-[benzyl(methyl)amino]-3-nitro-benzoate CAS Name: 4-[methyl-(phenylmethyl)amino]-3-nitrobenzoate IUPAC Name: 4-[benzyl(methyl)amino]-3-nitrobenzoate Traditional Name: 4-[benzyl(methyl)amino]-3-nitro-benzoate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O4/c1-16(10-11-5-3-2-4-6-11)13-8-7-12(15(18)19)9-14(13)17(20)21/h2-9H,10H2,1H3,(H,18,19)/p-1