[(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [(2S)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [(1S)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid [(1S)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCCC1)OC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O7/c1-13(20(26)21-14-6-4-2-3-5-7-14)30-19(25)11-22-16-10-15(23(27)28)8-9-17(16)29-12-18(22)24/h8-10,13-14H,2-7,11-12H2,1H3,(H,21,26)/t13-/m0/s1