ethyl 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(7-methoxy-1,3-benzodioxol-5-yl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=CC3=C(C(=C2)OC)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=CC3=C(C(=C2)OC)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7/c1-3-25-18(21)13-8-12(20(22)23)9-19-14(13)5-4-11-6-15(24-2)17-16(7-11)26-10-27-17/h4-9H,3,10H2,1-2H3/b5-4+