(2,5-dimethylphenyl)methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-azanyl-3-nitro-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2,5-dimethylbenzyl) ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-10-3-4-11(2)13(7-10)9-22-16(19)12-5-6-14(17)15(8-12)18(20)21/h3-8H,9,17H2,1-2H3