N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)methyleneamino]-(2,4-dinitrophenyl)amine Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)/C=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O5/c1-4-31-19-8-5-17(6-9-19)24-14(2)11-16(15(24)3)13-22-23-20-10-7-18(25(27)28)12-21(20)26(29)30/h5-13,23H,4H2,1-3H3/b22-13+