(2-methylphenyl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (2-methylphenyl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: o-tolylmethyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-methylbenzyl) ester Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

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