2-methoxy-6-nitro-4-[(E)-3-oxidanylidene-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(E)-3-oxidanylidene-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]phenolate Openeye Name: 4-[(E)-3-[4-(isopropylcarbamoylamino)phenyl]-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]prop-1-enyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(E)-3-oxo-3-[4-(propan-2-ylcarbamoylamino)phenyl]prop-1-enyl]phenolate Traditional Name: 4-[(E)-3-[4-(isopropylcarbamoylamino)phenyl]-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H20N3O6- MolecularWeight: 398.3893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-12(2)21-20(26)22-15-7-5-14(6-8-15)17(24)9-4-13-10-16(23(27)28)19(25)18(11-13)29-3/h4-12,25H,1-3H3,(H2,21,22,26)/p-1/b9-4+