1-(cyclohexylamino)propan-2-yl 4-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CNC1CCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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