[2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-chloranylbenzoate

Systemtic Name: [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-1-(3-nitrophenyl)-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(cyclohexylamino)-2-keto-1-(3-nitrophenyl)ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c22-16-11-9-14(10-12-16)21(26)29-19(15-5-4-8-18(13-15)24(27)28)20(25)23-17-6-2-1-3-7-17/h4-5,8-13,17,19H,1-3,6-7H2,(H,23,25)