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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (4-carbomethoxybenzyl) ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6/c1-26-18(22)13-4-2-12(3-5-13)11-27-19(23)14-6-9-16(20-15-7-8-15)17(10-14)21(24)25/h2-6,9-10,15,20H,7-8,11H2,1H3