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

Systemtic Name: methyl 3-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c1-29-20(26)10-15(13-5-3-2-4-6-13)21-18(24)11-22-16-9-14(23(27)28)7-8-17(16)30-12-19(22)25/h2-9,15H,10-12H2,1H3,(H,21,24)