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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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