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

Systemtic Name: N-[(E)-(2-chloranyl-1-propyl-indol-3-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(2-chloro-1-propyl-indol-3-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(2-chloro-1-propyl-3-indolyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(2-chloro-1-propylindol-3-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(2-chloro-1-propyl-indol-3-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=C1Cl)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=C1Cl)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O4/c1-2-9-22-16-6-4-3-5-13(16)14(18(22)19)11-20-21-15-8-7-12(23(25)26)10-17(15)24(27)28/h3-8,10-11,21H,2,9H2,1H3/b20-11+