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

Systemtic Name: 2-[(5-nitropyridin-1-ium-2-yl)amino]propan-2-yl 2-oxidanylidenechromene-3-carboxylate Openeye Name: [1-methyl-1-[(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]propan-2-yl ester IUPAC Name: 2-[(5-nitropyridin-1-ium-2-yl)amino]propan-2-yl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [1-methyl-1-[(5-nitropyridin-1-ium-2-yl)amino]ethyl] ester Formula: C18H16N3O6+ MolecularWeight: 370.33614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(NC1=[NH+]C=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC(C)(NC1=[NH+]C=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C18H15N3O6/c1-18(2,20-15-8-7-12(10-19-15)21(24)25)27-17(23)13-9-11-5-3-4-6-14(11)26-16(13)22/h3-10H,1-2H3,(H,19,20)/p+1