N-[(E)-(2-chloranyl-1-pentyl-indol-3-yl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(2-chloranyl-1-pentyl-indol-3-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(2-chloro-1-pentyl-indol-3-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(2-chloro-1-pentyl-3-indolyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(2-chloro-1-pentylindol-3-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(1-amyl-2-chloro-indol-3-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O4/c1-2-3-6-11-24-18-8-5-4-7-15(18)16(20(24)21)13-22-23-17-10-9-14(25(27)28)12-19(17)26(29)30/h4-5,7-10,12-13,23H,2-3,6,11H2,1H3/b22-13+