2-[(1-methylcyclohexyl)amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[(1-methylcyclohexyl)amino]ethyl 4-nitrobenzoate Openeye Name: 2-[(1-methylcyclohexyl)amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[(1-methylcyclohexyl)amino]ethyl ester IUPAC Name: 2-[(1-methylcyclohexyl)amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[(1-methylcyclohexyl)amino]ethyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1(CCCCC1)NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O4/c1-16(9-3-2-4-10-16)17-11-12-22-15(19)13-5-7-14(8-6-13)18(20)21/h5-8,17H,2-4,9-12H2,1H3