3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]coumarin Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H16N4O5/c24-18(15-11-13-3-1-2-4-16(13)28-19(15)25)22-9-7-21(8-10-22)14-5-6-17(20-12-14)23(26)27/h1-6,11-12H,7-10H2