methyl 2-[2-[4-(methylamino)-3-nitro-phenyl]cyclohexyl]ethanoate

Systemtic Name: methyl 2-[2-[4-(methylamino)-3-nitro-phenyl]cyclohexyl]ethanoate Openeye Name: methyl 2-[2-[4-(methylamino)-3-nitro-phenyl]cyclohexyl]acetate CAS Name: 2-[2-[4-(methylamino)-3-nitrophenyl]cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(methylamino)-3-nitrophenyl]cyclohexyl]acetate Traditional Name: 2-[2-[4-(methylamino)-3-nitro-phenyl]cyclohexyl]acetic acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C2CCCCC2CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C2CCCCC2CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-17-14-8-7-12(9-15(14)18(20)21)13-6-4-3-5-11(13)10-16(19)22-2/h7-9,11,13,17H,3-6,10H2,1-2H3