3-[4-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one

Systemtic Name: 3-[4-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one Openeye Name: 3-[4-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one CAS Name: 3-[4-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one Traditional Name: 3-[4-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]coumarin Formula: C22H13ClN2O5 MolecularWeight: 420.80202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H13ClN2O5/c23-16-9-15(21(26)19(11-16)25(28)29)12-24-17-7-5-13(6-8-17)18-10-14-3-1-2-4-20(14)30-22(18)27/h1-12,24H