ethyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-[[3-(3-nitrophenyl)acryloyl]amino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C30H25N5O5 MolecularWeight: 535.55

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NC(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H25N5O5/c1-2-40-30(37)26-27-29(32-24-14-7-6-13-23(24)31-27)34(18-17-20-9-4-3-5-10-20)28(26)33-25(36)16-15-21-11-8-12-22(19-21)35(38)39/h3-16,19H,2,17-18H2,1H3,(H,33,36)