ethyl 1-[4-(methylamino)-3-nitro-phenyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-[4-(methylamino)-3-nitro-phenyl]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[4-(methylamino)-3-nitro-phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(methylamino)-3-nitrophenyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(methylamino)-3-nitrophenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(methylamino)-3-nitro-phenyl]cyclohexanecarboxylic acid ethyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1(CCCCC1)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

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