methyl 2-[(3-chlorophenyl)methyl-methyl-amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(3-chlorophenyl)methyl-methyl-amino]-5-nitro-benzoate Openeye Name: methyl 2-[(3-chlorophenyl)methyl-methyl-amino]-5-nitro-benzoate CAS Name: 2-[(3-chlorophenyl)methyl-methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(3-chlorophenyl)methyl-methylamino]-5-nitrobenzoate Traditional Name: 2-[(3-chlorobenzyl)-methyl-amino]-5-nitro-benzoic acid methyl ester Formula: C16H15ClN2O4 MolecularWeight: 334.7543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O4/c1-18(10-11-4-3-5-12(17)8-11)15-7-6-13(19(21)22)9-14(15)16(20)23-2/h3-9H,10H2,1-2H3