[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H21N3O5/c18-15-10-13(20(23)24)6-7-14(15)17(22)25-11-16(21)19-9-8-12-4-2-1-3-5-12/h4,6-7,10H,1-3,5,8-9,11,18H2,(H,19,21)