3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one

Systemtic Name: 3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one Openeye Name: 3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one CAS Name: 3-nitro-4-[2-(1-pyrrolidin-1-iumyl)ethylamino]-1-benzopyran-2-one IUPAC Name: 3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)chromen-2-one Traditional Name: 3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)coumarin Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCNC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4/c19-15-14(18(20)21)13(11-5-1-2-6-12(11)22-15)16-7-10-17-8-3-4-9-17/h1-2,5-6,16H,3-4,7-10H2/p+1