4-(1-azanylethyl)-3-nitro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide

Systemtic Name: 4-(1-azanylethyl)-3-nitro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide Openeye Name: 4-(1-aminoethyl)-3-nitro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide CAS Name: 4-(1-aminoethyl)-3-nitro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide IUPAC Name: 4-(1-aminoethyl)-3-nitro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide Traditional Name: 4-(1-aminoethyl)-3-nitro-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide Formula: C16H15N5O3 MolecularWeight: 325.322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H15N5O3/c1-9(17)11-3-2-10(8-14(11)21(23)24)16(22)20-13-5-7-19-15-12(13)4-6-18-15/h2-9H,17H2,1H3,(H2,18,19,20,22)