6-[[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[1-(2-diethylaminoethyl)-2-benzimidazolyl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[1-(2-diethylaminoethyl)benzimidazol-2-yl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC=C3C=CC=C(C3=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC=C3C=CC=C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3/c1-3-23(4-2)12-13-24-17-10-6-5-9-16(17)22-20(24)21-14-15-8-7-11-18(19(15)26)25(27)28/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,22)