ethyl 7-(3-azanyl-4-oxidanylidene-pyridin-1-yl)-3-ethoxy-6-nitro-quinoxaline-2-carboxylate

Systemtic Name: ethyl 7-(3-azanyl-4-oxidanylidene-pyridin-1-yl)-3-ethoxy-6-nitro-quinoxaline-2-carboxylate Openeye Name: ethyl 7-(3-amino-4-oxo-1-pyridyl)-3-ethoxy-6-nitro-quinoxaline-2-carboxylate CAS Name: 7-(3-amino-4-oxo-1-pyridinyl)-3-ethoxy-6-nitro-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(3-amino-4-oxopyridin-1-yl)-3-ethoxy-6-nitroquinoxaline-2-carboxylate Traditional Name: 7-(3-amino-4-keto-1-pyridyl)-3-ethoxy-6-nitro-quinoxaline-2-carboxylic acid ethyl ester Formula: C18H17N5O6 MolecularWeight: 399.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)OCC)N3C=CC(=O)C(=C3)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC2=CC(=C(C=C2N=C1C(=O)OCC)N3C=CC(=O)C(=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6/c1-3-28-17-16(18(25)29-4-2)20-11-7-13(14(23(26)27)8-12(11)21-17)22-6-5-15(24)10(19)9-22/h5-9H,3-4,19H2,1-2H3