ethyl 6-azanyl-4-(3-chlorophenyl)-5-cyano-2-(3-nitrophenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-4-(3-chlorophenyl)-5-cyano-2-(3-nitrophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-4-(3-chlorophenyl)-5-cyano-2-(3-nitrophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-4-(3-chlorophenyl)-5-cyano-2-(3-nitrophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-4-(3-chlorophenyl)-5-cyano-2-(3-nitrophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-4-(3-chlorophenyl)-5-cyano-2-(3-nitrophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H16ClN3O5 MolecularWeight: 425.82184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)Cl)C#N)N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)Cl)C#N)N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O5/c1-2-29-21(26)18-17(12-5-3-7-14(22)9-12)16(11-23)20(24)30-19(18)13-6-4-8-15(10-13)25(27)28/h3-10,17H,2,24H2,1H3