3-[(Z)-2-[(4-tert-butylphenyl)amino]-1-nitro-ethenyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[(Z)-2-[(4-tert-butylphenyl)amino]-1-nitro-ethenyl]-3H-2-benzofuran-1-one Openeye Name: 3-[(Z)-2-(4-tert-butylanilino)-1-nitro-vinyl]-3H-isobenzofuran-1-one CAS Name: 3-[(Z)-2-(4-tert-butylanilino)-1-nitroethenyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[(Z)-2-(4-tert-butylanilino)-1-nitroethenyl]-3H-2-benzofuran-1-one Traditional Name: 3-[(Z)-2-(4-tert-butylanilino)-1-nitro-vinyl]phthalide Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC=C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N/C=C(/C2C3=CC=CC=C3C(=O)O2)\[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4/c1-20(2,3)13-8-10-14(11-9-13)21-12-17(22(24)25)18-15-6-4-5-7-16(15)19(23)26-18/h4-12,18,21H,1-3H3/b17-12-