2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O5/c26-20(22-16-8-9-23(12-16)11-15-4-2-1-3-5-15)13-24-18-10-17(25(28)29)6-7-19(18)30-14-21(24)27/h1-7,10,16H,8-9,11-14H2,(H,22,26)