methyl 4-[hexadecyl(methyl)amino]-3-nitro-benzoate

Systemtic Name: methyl 4-[hexadecyl(methyl)amino]-3-nitro-benzoate Openeye Name: methyl 4-[hexadecyl(methyl)amino]-3-nitro-benzoate CAS Name: 4-[hexadecyl(methyl)amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[hexadecyl(methyl)amino]-3-nitrobenzoate Traditional Name: 4-[cetyl(methyl)amino]-3-nitro-benzoic acid methyl ester Formula: C25H42N2O4 MolecularWeight: 434.61198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H42N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26(2)23-19-18-22(25(28)31-3)21-24(23)27(29)30/h18-19,21H,4-17,20H2,1-3H3