methyl 4-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O7/c1-27-18(24)11-2-4-12(5-3-11)19-16(22)9-20-14-8-13(21(25)26)6-7-15(14)28-10-17(20)23/h2-8H,9-10H2,1H3,(H,19,22)