N-[(E)-(2-chloranyl-1-pentyl-indol-3-yl)methylideneamino]-3-nitro-aniline

Systemtic Name: N-[(E)-(2-chloranyl-1-pentyl-indol-3-yl)methylideneamino]-3-nitro-aniline Openeye Name: N-[(E)-(2-chloro-1-pentyl-indol-3-yl)methyleneamino]-3-nitro-aniline CAS Name: N-[(E)-(2-chloro-1-pentyl-3-indolyl)methylideneamino]-3-nitroaniline IUPAC Name: N-[(E)-(2-chloro-1-pentylindol-3-yl)methylideneamino]-3-nitroaniline Traditional Name: [(E)-(1-amyl-2-chloro-indol-3-yl)methyleneamino]-(3-nitrophenyl)amine Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=C1Cl)C=NNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=C1Cl)/C=N/NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O2/c1-2-3-6-12-24-19-11-5-4-10-17(19)18(20(24)21)14-22-23-15-8-7-9-16(13-15)25(26)27/h4-5,7-11,13-14,23H,2-3,6,12H2,1H3/b22-14+