2-chloranyl-3-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-(4-methoxy-2-nitro-phenyl)piperazino]-1,4-naphthoquinone Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O5/c1-30-13-6-7-16(17(12-13)25(28)29)23-8-10-24(11-9-23)19-18(22)20(26)14-4-2-3-5-15(14)21(19)27/h2-7,12H,8-11H2,1H3