3-(3,4-dichlorophenyl)-3-nitro-2-[(E)-3-oxidanylideneprop-1-enyl]phenoxazine-1-carboxylic acid

Systemtic Name: 3-(3,4-dichlorophenyl)-3-nitro-2-[(E)-3-oxidanylideneprop-1-enyl]phenoxazine-1-carboxylic acid Openeye Name: 3-(3,4-dichlorophenyl)-3-nitro-2-[(E)-3-oxoprop-1-enyl]phenoxazine-1-carboxylic acid CAS Name: 3-(3,4-dichlorophenyl)-3-nitro-2-[(E)-3-oxoprop-1-enyl]-1-phenoxazinecarboxylic acid IUPAC Name: 3-(3,4-dichlorophenyl)-3-nitro-2-[(E)-3-oxoprop-1-enyl]phenoxazine-1-carboxylic acid Traditional Name: 3-(3,4-dichlorophenyl)-2-[(E)-3-ketoprop-1-enyl]-3-nitro-phenoxazine-1-carboxylic acid Formula: C22H12Cl2N2O6 MolecularWeight: 471.24648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=CC(C(=C3C(=O)O)C=CC=O)(C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-])O2

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=CC(C(=C3C(=O)O)/C=C/C=O)(C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-])O2

InChI

InChI=1S/C22H12Cl2N2O6/c23-14-8-7-12(10-15(14)24)22(26(30)31)11-18-20(19(21(28)29)13(22)4-3-9-27)25-16-5-1-2-6-17(16)32-18/h1-11H,(H,28,29)/b4-3+