2-[3-chloranyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-chloranyl-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]isoindole-1,3-dione Openeye Name: 2-[3-chloro-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-chloro-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-chloro-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-chloro-4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]isoindoline-1,3-quinone Formula: C21H12ClN3O5 MolecularWeight: 421.79008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H12ClN3O5/c22-17-10-13(24-20(27)15-3-1-2-4-16(15)21(24)28)5-7-18(17)23-11-12-9-14(25(29)30)6-8-19(12)26/h1-11,23H