methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-6-nitro-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-6-nitro-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-2-methyl-6-nitro-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-2-methyl-6-nitro-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-2-methyl-6-nitro-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-2-methyl-6-nitro-isoquinoline-4-carboxylic acid methyl ester Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(C1=O)(CC(=O)N)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(C1=O)(CC(=O)N)C(=O)OC

InChI

InChI=1S/C14H13N3O7/c1-16-11(19)8-4-3-7(17(22)23)5-9(8)14(12(16)20,6-10(15)18)13(21)24-2/h3-5H,6H2,1-2H3,(H2,15,18)