(phenylmethyl) N-[3-(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidanidylpyridin-1-ium-2-yl)carbamate

Systemtic Name: (phenylmethyl) N-[3-(7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidanidylpyridin-1-ium-2-yl)carbamate Openeye Name: benzyl N-[3-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidopyridin-1-ium-2-yl)carbamate CAS Name: N-[3-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)propyl]-N-(1-oxido-2-pyridin-1-iumyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(7-nitro-3-oxo-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidopyridin-1-ium-2-yl)carbamate Traditional Name: N-[3-(3-keto-7-nitro-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidopyridin-1-ium-2-yl)carbamic acid benzyl ester Formula: C24H22N4O7 MolecularWeight: 478.45408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)[N+](=O)[O-])CCCN(C3=CC=CC=[N+]3[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)[N+](=O)[O-])CCCN(C3=CC=CC=[N+]3[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O7/c29-23-17-34-21-15-19(28(32)33)10-11-20(21)25(23)12-6-13-26(22-9-4-5-14-27(22)31)24(30)35-16-18-7-2-1-3-8-18/h1-5,7-11,14-15H,6,12-13,16-17H2