4-[2-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]ethylamino]chromen-2-one

Systemtic Name: 4-[2-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]ethylamino]chromen-2-one Openeye Name: 4-[2-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-yl]ethylamino]chromen-2-one CAS Name: 4-[2-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinyl]ethylamino]-1-benzopyran-2-one IUPAC Name: 4-[2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]ethylamino]chromen-2-one Traditional Name: 4-[2-[4-(2-chloro-4-nitro-benzoyl)piperazino]ethylamino]coumarin Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=CC(=O)OC3=CC=CC=C32)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CCNC2=CC(=O)OC3=CC=CC=C32)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN4O5/c23-18-13-15(27(30)31)5-6-16(18)22(29)26-11-9-25(10-12-26)8-7-24-19-14-21(28)32-20-4-2-1-3-17(19)20/h1-6,13-14,24H,7-12H2