methyl 5-[(4-aminocarbonylphenyl)methyl-methyl-amino]-2-nitro-benzoate

Systemtic Name: methyl 5-[(4-aminocarbonylphenyl)methyl-methyl-amino]-2-nitro-benzoate Openeye Name: methyl 5-[(4-carbamoylphenyl)methyl-methyl-amino]-2-nitro-benzoate CAS Name: 5-[(4-carbamoylphenyl)methyl-methylamino]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[(4-carbamoylphenyl)methyl-methylamino]-2-nitrobenzoate Traditional Name: 5-[(4-carbamoylbenzyl)-methyl-amino]-2-nitro-benzoic acid methyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-19(10-11-3-5-12(6-4-11)16(18)21)13-7-8-15(20(23)24)14(9-13)17(22)25-2/h3-9H,10H2,1-2H3,(H2,18,21)