[2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(2-furylmethyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[1-cyclohexenyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[cyclohexen-1-yl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c21-17-9-8-14(11-18(17)23(26)27)20(25)29-13-19(24)22(12-16-7-4-10-28-16)15-5-2-1-3-6-15/h4-5,7-11H,1-3,6,12-13,21H2