ethyl 2-azanyl-7,7-dimethyl-4-(4-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-7,7-dimethyl-4-(4-nitro-1,3-benzodioxol-5-yl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-7,7-dimethyl-4-(4-nitro-1,3-benzodioxol-5-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-7,7-dimethyl-4-(4-nitro-1,3-benzodioxol-5-yl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-7,7-dimethyl-4-(4-nitro-1,3-benzodioxol-5-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-(4-nitro-1,3-benzodioxol-5-yl)-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C4=C(C=C3)OCO4)[N+](=O)[O-])C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C4=C(C=C3)OCO4)[N+](=O)[O-])C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C21H22N2O8/c1-4-28-20(25)16-14(10-5-6-12-18(30-9-29-12)17(10)23(26)27)15-11(24)7-21(2,3)8-13(15)31-19(16)22/h5-6,14H,4,7-9,22H2,1-3H3