2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: 2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: 2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid 2-[(5-nitro-2-pyridin-1-iumyl)amino]ethyl ester IUPAC Name: 2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid 2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl ester Formula: C17H14N3O6+ MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCCNC3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c21-16(13-9-11-3-1-2-4-14(11)26-17(13)22)25-8-7-18-15-6-5-12(10-19-15)20(23)24/h1-6,9-10H,7-8H2,(H,18,19)/p+1