5-[(4-methylphenyl)amino]-2-nitro-benzoate

Systemtic Name: 5-[(4-methylphenyl)amino]-2-nitro-benzoate Openeye Name: 5-(4-methylanilino)-2-nitro-benzoate CAS Name: 5-(4-methylanilino)-2-nitrobenzoate IUPAC Name: 5-(4-methylanilino)-2-nitrobenzoate Traditional Name: 2-nitro-5-(p-toluidino)benzoate Formula: C14H11N2O4- MolecularWeight: 271.24814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H12N2O4/c1-9-2-4-10(5-3-9)15-11-6-7-13(16(19)20)12(8-11)14(17)18/h2-8,15H,1H3,(H,17,18)/p-1