ethyl 4-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]benzoate

Systemtic Name: ethyl 4-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]benzoate Openeye Name: ethyl 4-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methyleneamino]benzoate CAS Name: 4-[[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]benzoate Traditional Name: 4-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methyleneamino]benzoic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N3O4/c1-4-29-22(26)17-8-10-19(11-9-17)23-14-18-12-15(2)24(16(18)3)20-6-5-7-21(13-20)25(27)28/h5-14H,4H2,1-3H3