(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H17ClN2O7 MolecularWeight: 444.82188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN2O7/c1-2-12-7-18-16(9-17(12)22)14(8-19(25)31-18)11-30-20(26)10-23-21(27)13-4-3-5-15(6-13)24(28)29/h3-9H,2,10-11H2,1H3,(H,23,27)