methyl 4-[(2-methoxy-5-nitro-phenyl)methylamino]-3-methyl-benzoate

Systemtic Name: methyl 4-[(2-methoxy-5-nitro-phenyl)methylamino]-3-methyl-benzoate Openeye Name: methyl 4-[(2-methoxy-5-nitro-phenyl)methylamino]-3-methyl-benzoate CAS Name: 4-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbenzoate Traditional Name: 4-[(2-methoxy-5-nitro-benzyl)amino]-3-methyl-benzoic acid methyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O5/c1-11-8-12(17(20)24-3)4-6-15(11)18-10-13-9-14(19(21)22)5-7-16(13)23-2/h4-9,18H,10H2,1-3H3