[5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] hexan-2-yl carbonate

Systemtic Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]-3-nitro-2-oxidanyl-phenyl] hexan-2-yl carbonate Openeye Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxo-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] 1-methylpentyl carbonate CAS Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] hexan-2-yl ester IUPAC Name: [5-[(E)-2-cyano-3-(diethylamino)-3-oxoprop-1-enyl]-2-hydroxy-3-nitrophenyl] hexan-2-yl carbonate Traditional Name: carbonic acid [5-[(E)-2-cyano-3-(diethylamino)-3-keto-prop-1-enyl]-2-hydroxy-3-nitro-phenyl] 1-methylpentyl ester Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)N(CC)CC

Isomeric SMILES

CCCCC(C)OC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C(\C#N)/C(=O)N(CC)CC

InChI

InChI=1S/C21H27N3O7/c1-5-8-9-14(4)30-21(27)31-18-12-15(11-17(19(18)25)24(28)29)10-16(13-22)20(26)23(6-2)7-3/h10-12,14,25H,5-9H2,1-4H3/b16-10+