methyl 2-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylbenzoate Openeye Name: methyl 2-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]benzoate CAS Name: 2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]benzoate Traditional Name: 2-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]benzoic acid methyl ester Formula: C28H25N3O7 MolecularWeight: 515.514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O7/c1-37-27(33)22-8-4-3-7-21(22)26(32)18-10-11-24(25(16-18)31(35)36)29-14-12-20(13-15-29)30-23-9-5-2-6-19(23)17-38-28(30)34/h2-11,16,20H,12-15,17H2,1H3