ethyl 6-azanyl-5-cyano-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)N)C

InChI

InChI=1S/C17H15N3O7/c1-3-24-17(21)14-8(2)27-16(19)10(6-18)15(14)9-4-12-13(26-7-25-12)5-11(9)20(22)23/h4-5,15H,3,7,19H2,1-2H3