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

Systemtic Name: methyl 1-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H21N3O7 MolecularWeight: 391.37524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7/c1-27-17(24)18(7-3-2-4-8-18)19-15(22)10-20-13-9-12(21(25)26)5-6-14(13)28-11-16(20)23/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,19,22)