6-azanyl-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)pyran-3-carboxylic acid

Systemtic Name: 6-azanyl-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)pyran-3-carboxylic acid Openeye Name: 6-amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)pyran-3-carboxylic acid CAS Name: 6-amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)-3-pyrancarboxylic acid IUPAC Name: 6-amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)pyran-3-carboxylic acid Traditional Name: 6-amino-5-cyano-2-ethyl-4-methyl-4-(3-nitrophenyl)pyran-3-carboxylic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(O1)N)C#N)(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(O1)N)C#N)(C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H15N3O5/c1-3-12-13(15(20)21)16(2,11(8-17)14(18)24-12)9-5-4-6-10(7-9)19(22)23/h4-7H,3,18H2,1-2H3,(H,20,21)