3-[2-[4-[(4-nitrophenyl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinyl]indol-2-one

Systemtic Name: 3-[2-[4-[(4-nitrophenyl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinyl]indol-2-one Openeye Name: 3-[2-[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazino]indol-2-one CAS Name: 3-[[4-(4-nitroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]hydrazo]-2-indolone IUPAC Name: 3-[2-[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinyl]indol-2-one Traditional Name: 3-[N'-[4-(4-nitroanilino)-6-pyrrolidino-s-triazin-2-yl]hydrazino]indol-2-one Formula: C21H19N9O3 MolecularWeight: 445.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)NNC3=C4C=CC=CC4=NC3=O)NC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)NNC3=C4C=CC=CC4=NC3=O)NC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H19N9O3/c31-18-17(15-5-1-2-6-16(15)23-18)27-28-20-24-19(25-21(26-20)29-11-3-4-12-29)22-13-7-9-14(10-8-13)30(32)33/h1-2,5-10H,3-4,11-12H2,(H,23,27,31)(H2,22,24,25,26,28)