methyl (Z)-2-[2-[(E)-N-acetyloxy-C-(5-nitroisoquinolin-3-yl)carbonimidoyl]phenyl]-3-methoxy-prop-2-enoate

Systemtic Name: methyl (Z)-2-[2-[(E)-N-acetyloxy-C-(5-nitroisoquinolin-3-yl)carbonimidoyl]phenyl]-3-methoxy-prop-2-enoate Openeye Name: methyl (Z)-2-[2-[(E)-N-acetoxy-C-(5-nitro-3-isoquinolyl)carbonimidoyl]phenyl]-3-methoxy-prop-2-enoate CAS Name: (Z)-2-[2-[(E)-acetyloxyimino-(5-nitro-3-isoquinolinyl)methyl]phenyl]-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-[2-[(E)-N-acetyloxy-C-(5-nitroisoquinolin-3-yl)carbonimidoyl]phenyl]-3-methoxyprop-2-enoate Traditional Name: (Z)-2-[2-[(E)-N-acetoxy-C-(5-nitro-3-isoquinolyl)carbonimidoyl]phenyl]-3-methoxy-acrylic acid methyl ester Formula: C23H19N3O7 MolecularWeight: 449.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(C1=CC=CC=C1C(=COC)C(=O)OC)C2=NC=C3C=CC=C(C3=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O/N=C(\C1=CC=CC=C1/C(=C/OC)/C(=O)OC)/C2=NC=C3C=CC=C(C3=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O7/c1-14(27)33-25-22(17-9-5-4-8-16(17)19(13-31-2)23(28)32-3)20-11-18-15(12-24-20)7-6-10-21(18)26(29)30/h4-13H,1-3H3/b19-13-,25-22+