4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-(2-p-phenetylpyrrolidino)ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-2-30-17-8-5-15(6-9-17)18-4-3-11-23(18)21(26)13-24-19-12-16(25(28)29)7-10-20(19)31-14-22(24)27/h5-10,12,18H,2-4,11,13-14H2,1H3