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

Systemtic Name: methyl 6-azanyl-4-(3-chloranyl-4-nitro-phenyl)-5-cyano-2-propan-2-yl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-4-(3-chloro-4-nitro-phenyl)-5-cyano-2-isopropyl-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-chloro-4-nitrophenyl)-5-cyano-2-propan-2-yl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-4-(3-chloro-4-nitrophenyl)-5-cyano-2-propan-2-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-chloro-4-nitro-phenyl)-5-cyano-2-isopropyl-4H-pyran-3-carboxylic acid methyl ester Formula: C17H16ClN3O5 MolecularWeight: 377.77904

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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-])Cl)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5/c1-8(2)15-14(17(22)25-3)13(10(7-19)16(20)26-15)9-4-5-12(21(23)24)11(18)6-9/h4-6,8,13H,20H2,1-3H3