2-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-3-(4-nitrophenyl)naphthalene-1,4-dione

Systemtic Name: 2-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-but-1-en-2-yl]-3-(4-nitrophenyl)naphthalene-1,4-dione Openeye Name: 2-[(1Z)-1-[ethoxy(hydroxy)methylene]-2-oxo-propyl]-3-(4-nitrophenyl)naphthalene-1,4-dione CAS Name: 2-[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-3-(4-nitrophenyl)naphthalene-1,4-dione IUPAC Name: 2-[(Z)-1-ethoxy-1-hydroxy-3-oxobut-1-en-2-yl]-3-(4-nitrophenyl)naphthalene-1,4-dione Traditional Name: 2-[(Z)-1-acetyl-2-ethoxy-2-hydroxy-vinyl]-3-(4-nitrophenyl)-1,4-naphthoquinone Formula: C22H17NO7 MolecularWeight: 407.37288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C)O

Isomeric SMILES

CCO/C(=C(/C1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-])\C(=O)C)/O

InChI

InChI=1S/C22H17NO7/c1-3-30-22(27)17(12(2)24)19-18(13-8-10-14(11-9-13)23(28)29)20(25)15-6-4-5-7-16(15)21(19)26/h4-11,27H,3H2,1-2H3/b22-17+