(3-methoxycarbonylphenyl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (3-carbomethoxybenzyl) ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6/c1-11-6-7-14(9-15(11)18(21)22)17(20)24-10-12-4-3-5-13(8-12)16(19)23-2/h3-9H,10H2,1-2H3