methyl 6-azanyl-5-cyano-4-(4-nitrophenyl)-2-propan-2-yl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-4-(4-nitrophenyl)-2-propan-2-yl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-2-isopropyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(4-nitrophenyl)-2-propan-2-yl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-4-(4-nitrophenyl)-2-propan-2-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-isopropyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H17N3O5/c1-9(2)15-14(17(21)24-3)13(12(8-18)16(19)25-15)10-4-6-11(7-5-10)20(22)23/h4-7,9,13H,19H2,1-3H3