2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxidanylidene-chromene-3-carboxylate chloride

Systemtic Name: 2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxidanylidene-chromene-3-carboxylate chloride Openeye Name: 2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxo-chromene-3-carboxylate chloride CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid 2-(4-morpholin-4-iumyl)ethyl ester chloride IUPAC Name: 2-morpholin-4-ium-4-ylethyl 6-nitro-2-oxochromene-3-carboxylate chloride Traditional Name: 2-keto-6-nitro-chromene-3-carboxylic acid 2-morpholin-4-ium-4-ylethyl ester chloride Formula: C16H17ClN2O7 MolecularWeight: 384.76838

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O.[Cl-]

Isomeric SMILES

C1COCC[NH+]1CCOC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O.[Cl-]

InChI

InChI=1S/C16H16N2O7.ClH/c19-15(24-8-5-17-3-6-23-7-4-17)13-10-11-9-12(18(21)22)1-2-14(11)25-16(13)20;/h1-2,9-10H,3-8H2;1H