ethyl 2-azanyl-4-(2,3-dinitrophenyl)-7,7-dimethyl-5-oxidanylidene-4a,6,8,8a-tetrahydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(2,3-dinitrophenyl)-7,7-dimethyl-5-oxidanylidene-4a,6,8,8a-tetrahydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-(2,3-dinitrophenyl)-7,7-dimethyl-5-oxo-4a,6,8,8a-tetrahydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-(2,3-dinitrophenyl)-7,7-dimethyl-5-oxo-4a,6,8,8a-tetrahydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(2,3-dinitrophenyl)-7,7-dimethyl-5-oxo-4a,6,8,8a-tetrahydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-(2,3-dinitrophenyl)-5-keto-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C20H23N3O8 MolecularWeight: 433.41192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2CC(CC(=O)C2C1C3=C(C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-])(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2CC(CC(=O)C2C1C3=C(C(=CC=C3)[N+](=O)[O-])[N+](=O)[O-])(C)C)N

InChI

InChI=1S/C20H23N3O8/c1-4-30-19(25)16-14(10-6-5-7-11(22(26)27)17(10)23(28)29)15-12(24)8-20(2,3)9-13(15)31-18(16)21/h5-7,13-15H,4,8-9,21H2,1-3H3